F067-1091 Screening compound: 3-benzyl-N-[(furan-2-yl)methyl]-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

F067-1091 Screening compound: 3-benzyl-N-[(furan-2-yl)methyl]-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
F067-1091 Screening compound: 3-benzyl-N-[(furan-2-yl)methyl]-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F067-1091
3-benzyl-N-[(furan-2-yl)methyl]-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F067-1091

Molecular Formula

C30H25N3O5S (C30 H25 N3 O5 S)

Compound Name

3-benzyl-N-[(furan-2-yl)methyl]-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-benzyl-N-[(furan-2-yl)methyl]-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

COc(cc1)ccc1C(CSC(N1Cc2ccccc2)=Nc(cc(cc2)C(NCc3ccco3)=O)c2C1=O)=O

InChI

InChI=1S/C30H25N3O5S/c1-37-23-12-9-21(10-13-23)27(34)19-39-30-32-26-16-22(28(35)31-17-24-8-5-15-38-24)11-14-25(26)29(36)33(30)18-20-6-3-2-4-7-20/h2-16H,17-19H2,1H3,(H,31,35)

InChI Key

LXVTZZPSCSKABK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

4.844

Water Solubility, LogSw

-4.58

Polar Surface Area

78.724

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with F067-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F067-1091?
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What is the minimum amount of F067-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F067-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F067-1091
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F067-1091 available by request